SCHEMBL7433917

SCHEMBL7433917

CN1CCN(C(=O)c2ccc(-c3nnn(C(C(=O)OCc4ccccc4)C(=O)C(N)CC(=O)OC(C)(C)C)n3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.41
AVPR1A P37288 2/20 0.41
POLB P06746 1/20 0.40
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
LTA4H P09960 2/20 0.38
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
FASN P49327 1/20 0.36
SLC6A7 Q99884 1/20 0.36
THRB P10828 1/20 0.36
P2RY12 Q9H244 1/20 0.35
GRM5 P41594 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7437714 0.89 CYP1A2 (0.43) POLBCYP2C9CYP1A2CYP2C19LTA4H
SCHEMBL7431022 0.89 CYP1A2 (0.47) POLBCYP2C9CYP1A2CYP2C19LTA4H
SCHEMBL7438701 0.89 CYP1A2 (0.48) POLBCYP2C9CYP1A2CYP2C19LTA4H
SCHEMBL7440427 0.87 SMN1; SMN2 (0.44) CYP2C9CYP1A2CYP2C19LTA4HMAPT
SCHEMBL7439108 0.86 CYP1A2 (0.41) POLBCYP2C9CYP1A2CYP2C19LTA4H
SCHEMBL7442267 0.82 SMN1; SMN2 (0.46) POLBCYP2C9CYP1A2CYP2C19LTA4H
SCHEMBL7432463 0.81 HPGD (0.38) CYP2C9CYP1A2CYP2C19LTA4HMAPT
SCHEMBL7434576 0.81 LNPEP (0.38) POLBCYP2C9CYP1A2CYP2C19LTA4H
SCHEMBL7438657 0.81 L3MBTL1 (0.38) CYP2C9CYP1A2CYP2C19LTA4HMAPT
SCHEMBL7436532 0.80 LNPEP (0.39) POLBCYP2C9CYP1A2CYP2C19LTA4H

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710153-A INTERLEUKIN CONVERTING ENZYME INHIBITORS ONO PHRAMACEUTICAL CO., LTD. (JP) 1998-01-20 US disclosed
EP-0761680-A2 Tetrazole compounds having Interleukin-1beta converting enzyme inhibitory activity ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP disclosed